2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

C9H7F2N3O — CID 71050186

IUPAC2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2
InChIKeyDGMROEIYVMQCFB-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.78
Rot. Bonds1

About 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine

2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (PubChem CID 71050186) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
PubChem CID71050186
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine
SMILESNc1nc(-c2c(F)cccc2F)oc1N
InChIInChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2
InChIKeyDGMROEIYVMQCFB-UHFFFAOYSA-N
XLogP1.78
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The IUPAC name of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine (CID 71050186) is 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The canonical SMILES for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is Nc1nc(-c2c(F)cccc2F)oc1N.
What is the InChIKey of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
The InChIKey is DGMROEIYVMQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-4-2-1-3-5(11)6(4)9-14-7(12)8(13)15-9/h1-3H,12-13H2.
What are the key properties of 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine?
2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine has a molecular weight of 211.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-diamine is sourced from PubChem (CID 71050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).